==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/IMMUNOSUPPRESSANT 09-AUG-07 2Z6W . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.KAJITANI,M.FUJIHASHI,Y.KOBAYASHI,S.SHIMIZU,Y.TSUJIMOTO,K.M . 350 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 28.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 27 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 4 6 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A G 0 0 119 0, 0.0 163,-0.0 0, 0.0 256,-0.0 0.000 360.0 360.0 360.0 11.5 -25.4 -4.7 -9.1 2 3 A N - 0 0 15 1,-0.1 22,-0.1 22,-0.0 0, 0.0 -0.475 360.0-101.6 -86.2 150.8 -22.3 -3.3 -7.5 3 4 A P - 0 0 21 0, 0.0 20,-2.7 0, 0.0 2,-0.4 -0.250 30.1-154.9 -61.6 153.2 -20.0 -0.6 -9.0 4 5 A L E +A 22 0A 4 18,-0.2 159,-2.9 277,-0.0 160,-1.1 -0.996 15.2 177.5-130.0 132.8 -16.7 -1.6 -10.6 5 6 A V E -AB 21 162A 0 16,-2.4 16,-2.7 -2,-0.4 2,-0.3 -0.856 13.4-142.6-131.1 166.6 -13.7 0.7 -11.0 6 7 A Y E -AB 20 161A 32 155,-2.5 155,-1.5 -2,-0.3 2,-0.4 -0.959 6.9-162.1-131.1 153.2 -10.1 0.5 -12.3 7 8 A L E -AB 19 160A 0 12,-2.4 12,-2.8 -2,-0.3 2,-0.5 -0.997 8.0-160.1-127.3 122.2 -6.7 1.8 -11.5 8 9 A D E -AB 18 159A 23 151,-3.1 151,-1.5 -2,-0.4 150,-1.4 -0.935 22.3-161.5 -99.2 125.6 -3.9 1.8 -14.1 9 10 A V E -AB 17 157A 0 8,-2.2 7,-3.2 -2,-0.5 8,-0.8 -0.919 13.2-168.0-121.8 134.8 -0.6 2.0 -12.3 10 11 A D E -AB 15 156A 26 146,-2.6 146,-1.5 -2,-0.4 2,-0.4 -0.764 13.3-149.1-105.1 159.7 2.9 3.0 -13.4 11 12 A A E > S-AB 14 155A 2 3,-2.0 3,-2.0 -2,-0.3 144,-0.2 -0.976 88.5 -21.3-126.0 116.3 6.3 2.7 -11.6 12 13 A N T 3 S- 0 0 90 142,-2.5 143,-0.1 -2,-0.4 -1,-0.1 0.876 130.8 -50.3 47.7 42.8 8.7 5.5 -12.7 13 14 A G T 3 S+ 0 0 55 141,-0.4 -1,-0.3 1,-0.2 142,-0.1 0.438 113.4 119.4 84.7 -2.2 6.5 5.9 -15.8 14 15 A K E < -A 11 0A 140 -3,-2.0 -3,-2.0 1,-0.0 -1,-0.2 -0.877 68.9-117.3 -99.3 116.3 6.5 2.2 -16.8 15 16 A P E -A 10 0A 108 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.303 27.3-176.3 -57.9 135.4 3.0 0.7 -16.9 16 17 A L E - 0 0 18 -7,-3.2 2,-0.3 1,-0.4 -6,-0.2 0.596 48.0-108.4 -96.8 -21.7 2.5 -2.2 -14.4 17 18 A G E -A 9 0A 32 -8,-0.8 -8,-2.2 2,-0.0 2,-0.4 -0.789 43.0 -44.5 121.6-166.8 -1.0 -3.0 -15.5 18 19 A R E -A 8 0A 53 -2,-0.3 2,-0.5 -10,-0.2 119,-0.3 -0.868 31.4-159.7-113.3 135.6 -4.6 -2.6 -14.4 19 20 A V E -A 7 0A 0 -12,-2.8 -12,-2.4 -2,-0.4 2,-0.5 -0.969 12.2-157.8-108.0 128.5 -6.3 -3.3 -11.0 20 21 A V E -AC 6 133A 0 113,-2.8 112,-3.0 -2,-0.5 113,-1.4 -0.953 10.2-166.6-112.7 125.4 -10.1 -3.8 -11.1 21 22 A L E -AC 5 131A 0 -16,-2.7 -16,-2.4 -2,-0.5 2,-0.4 -0.928 13.6-147.3-114.3 129.9 -12.0 -3.2 -7.8 22 23 A E E -AC 4 130A 47 108,-2.6 108,-1.9 -2,-0.4 2,-0.5 -0.858 17.2-147.5 -90.0 134.1 -15.6 -4.2 -6.9 23 24 A L E - C 0 129A 0 -20,-2.7 2,-2.1 -2,-0.4 106,-0.3 -0.917 10.2-135.9-106.1 125.6 -17.2 -1.6 -4.6 24 25 A K >> + 0 0 43 104,-2.8 4,-2.8 -2,-0.5 3,-1.9 -0.437 41.2 156.3 -85.5 67.7 -19.7 -3.1 -2.1 25 26 A A T 34 + 0 0 29 -2,-2.1 -1,-0.2 1,-0.3 8,-0.1 0.680 67.7 69.3 -66.4 -19.7 -22.4 -0.5 -2.5 26 27 A D T 34 S+ 0 0 100 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.664 116.4 23.6 -66.7 -23.0 -25.0 -3.1 -1.3 27 28 A V T <4 S+ 0 0 38 -3,-1.9 -2,-0.2 101,-0.1 -1,-0.1 0.712 140.5 20.8-110.5 -42.7 -23.3 -2.9 2.2 28 29 A V X + 0 0 0 -4,-2.8 4,-2.9 100,-0.1 5,-0.3 -0.637 67.2 164.7-130.6 69.7 -21.6 0.5 2.3 29 30 A P H > S+ 0 0 71 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.894 76.8 49.1 -57.3 -38.8 -23.4 2.7 -0.3 30 31 A K H > S+ 0 0 87 2,-0.2 4,-1.6 1,-0.2 -5,-0.1 0.893 115.3 42.6 -72.3 -38.3 -22.1 6.0 1.0 31 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.889 114.8 51.0 -74.5 -41.1 -18.4 4.8 1.2 32 33 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.915 107.9 53.1 -60.5 -42.8 -18.6 3.0 -2.2 33 34 A E H X S+ 0 0 62 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.894 106.2 53.2 -62.9 -39.9 -20.0 6.1 -3.8 34 35 A N H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.959 112.4 43.9 -55.9 -52.3 -17.1 8.3 -2.5 35 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.928 113.1 51.6 -62.4 -44.2 -14.5 5.9 -4.0 36 37 A R H X S+ 0 0 24 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.950 112.2 45.6 -57.3 -49.0 -16.4 5.6 -7.3 37 38 A A H X>S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 5,-0.8 0.823 109.7 54.6 -67.5 -33.8 -16.7 9.3 -7.8 38 39 A L H <5S+ 0 0 1 -4,-2.2 9,-1.9 -5,-0.2 10,-0.5 0.815 109.1 49.9 -69.3 -28.4 -13.0 9.9 -6.8 39 40 A C H <5S+ 0 0 4 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.882 115.3 41.6 -71.7 -41.8 -12.1 7.4 -9.6 40 41 A T H <5S- 0 0 51 -4,-2.0 -2,-0.2 121,-0.2 -1,-0.2 0.691 96.6-138.9 -77.8 -19.7 -14.2 9.1 -12.2 41 42 A G T ><5 + 0 0 30 -4,-1.5 3,-2.1 -5,-0.2 -3,-0.2 0.637 53.5 144.3 71.7 14.8 -13.2 12.6 -11.2 42 43 A E T 3 < + 0 0 99 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.655 64.6 55.1 -70.6 -14.6 -16.9 13.7 -11.6 43 44 A K T 3 S- 0 0 109 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.455 127.2 -94.6 -90.7 -4.5 -16.9 16.1 -8.7 44 45 A G S < S+ 0 0 70 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.465 100.7 50.9 106.9 6.7 -13.9 18.0 -10.1 45 46 A F + 0 0 57 -8,-0.2 -2,-0.5 -4,-0.0 -1,-0.3 -0.952 58.6 121.7-161.1 165.5 -11.1 16.2 -8.2 46 47 A G - 0 0 15 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.996 64.6 -44.0 159.1-162.8 -10.0 12.6 -7.5 47 48 A Y S > S+ 0 0 0 -9,-1.9 3,-2.6 -2,-0.3 110,-0.3 0.650 77.7 119.7 -75.3 -20.5 -7.3 10.0 -7.7 48 49 A K T 3 S+ 0 0 138 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.268 86.5 10.3 -59.7 128.9 -6.0 10.4 -11.3 49 50 A G T 3 S+ 0 0 46 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.277 101.8 119.1 90.4 -8.0 -2.2 11.2 -11.2 50 51 A S < - 0 0 1 -3,-2.6 107,-3.2 107,-0.2 -1,-0.3 -0.187 54.5-118.1 -85.1 178.9 -1.8 10.6 -7.5 51 52 A T B -D 156 0A 22 14,-0.3 2,-0.9 105,-0.2 13,-0.8 -0.744 15.6-117.9-121.5 162.2 0.5 8.0 -5.9 52 53 A F E +E 63 0A 1 103,-2.4 103,-0.5 -2,-0.3 11,-0.3 -0.891 43.5 176.3 -87.6 100.6 0.8 4.9 -3.7 53 54 A H E + 0 0 35 -2,-0.9 2,-0.4 9,-0.5 98,-0.3 0.638 60.6 37.9 -89.5 -16.7 2.8 6.8 -1.1 54 55 A R E +E 62 0A 22 8,-1.3 8,-3.1 96,-0.1 2,-0.4 -0.959 64.1 170.2-142.9 112.7 3.2 4.0 1.5 55 56 A V E -E 61 0A 0 94,-2.1 91,-2.1 -2,-0.4 94,-0.4 -0.988 7.1-176.1-133.9 119.7 3.7 0.4 0.5 56 57 A I E >> -E 60 0A 13 4,-2.8 3,-2.1 -2,-0.4 4,-1.2 -0.954 28.7-121.0-123.8 112.5 4.7 -2.3 3.1 57 58 A P T 34 S+ 0 0 54 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.214 95.3 11.1 -59.1 139.7 5.4 -5.8 1.8 58 59 A S T 34 S+ 0 0 85 1,-0.2 56,-0.0 57,-0.1 84,-0.0 0.430 128.6 60.2 69.0 10.4 3.1 -8.6 3.3 59 60 A F T <4 S- 0 0 3 -3,-2.1 56,-2.7 1,-0.2 57,-0.7 0.589 103.7 -58.7-120.9 -80.2 0.9 -5.9 4.8 60 61 A M E < -EF 56 114A 0 -4,-1.2 -4,-2.8 54,-0.3 2,-0.5 -0.983 29.2-115.9-165.8 167.0 -0.8 -3.4 2.3 61 62 A C E -EF 55 113A 0 52,-2.3 52,-2.4 -2,-0.3 2,-0.4 -0.992 33.2-157.3-115.6 123.4 -0.4 -0.8 -0.4 62 63 A Q E +EF 54 112A 0 -8,-3.1 -8,-1.3 -2,-0.5 -9,-0.5 -0.828 25.4 140.4-112.1 137.7 -1.7 2.7 0.7 63 64 A A E +EF 52 111A 0 48,-2.6 48,-2.3 -2,-0.4 -11,-0.2 -0.824 22.5 95.9-150.6-174.6 -2.8 5.4 -1.7 64 65 A G + 0 0 0 -13,-0.8 2,-1.7 46,-0.3 11,-0.3 0.419 42.2 128.6 104.1 -2.7 -5.4 8.2 -2.2 65 66 A D > + 0 0 1 -14,-0.5 4,-1.1 1,-0.2 -14,-0.3 -0.606 20.6 155.4 -88.0 81.6 -3.8 11.3 -0.9 66 67 A F T 4 + 0 0 23 -2,-1.7 -1,-0.2 1,-0.2 -20,-0.1 0.549 67.5 50.7 -85.5 -6.7 -4.4 13.5 -4.0 67 68 A T T 4 S+ 0 0 53 -3,-0.2 -1,-0.2 8,-0.0 -2,-0.1 0.852 129.3 11.6 -93.2 -43.5 -4.2 16.8 -2.2 68 69 A N T 4 S- 0 0 79 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.529 81.7-145.1-115.4 -16.9 -0.9 16.5 -0.3 69 70 A H S < S+ 0 0 100 -4,-1.1 -3,-0.1 1,-0.1 -17,-0.0 0.743 80.7 77.0 61.3 27.8 0.7 13.4 -1.8 70 71 A N S S- 0 0 94 -19,-0.0 -1,-0.1 -16,-0.0 267,-0.1 0.396 111.1 -89.4-150.7 3.8 2.2 12.3 1.5 71 72 A G S S+ 0 0 2 265,-0.1 267,-0.1 -6,-0.1 39,-0.1 0.226 107.9 88.9 100.1 -14.2 -0.3 10.7 3.8 72 73 A T S S+ 0 0 76 265,-0.1 264,-0.1 264,-0.1 2,-0.1 0.611 88.3 34.2 -89.3 -15.3 -1.4 13.9 5.5 73 74 A G + 0 0 17 264,-0.0 37,-0.3 2,-0.0 36,-0.3 -0.133 48.4 124.3-121.8-145.0 -4.2 14.9 3.1 74 75 A G - 0 0 16 -9,-0.2 2,-0.3 35,-0.1 -9,-0.1 -0.162 35.4-143.6 96.7 159.5 -7.0 13.8 0.8 75 76 A K - 0 0 81 -11,-0.3 5,-0.2 33,-0.1 2,-0.2 -0.977 7.9-129.1-155.2 155.2 -10.7 14.7 0.9 76 77 A S B > -I 79 0B 3 3,-2.5 3,-1.3 -2,-0.3 33,-0.1 -0.532 32.0-105.3 -99.1 172.6 -13.9 13.0 0.2 77 78 A I T 3 S+ 0 0 33 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.636 123.0 54.7 -70.0 -11.5 -16.8 14.0 -2.0 78 79 A Y T 3 S- 0 0 87 1,-0.4 2,-0.2 30,-0.1 -1,-0.2 0.311 126.7 -81.8-100.7 1.9 -18.7 14.8 1.3 79 80 A G B < S-I 76 0B 35 -3,-1.3 -3,-2.5 1,-0.2 -1,-0.4 -0.783 73.2 -38.8 123.2-169.6 -16.0 17.2 2.6 80 81 A S S S+ 0 0 71 -2,-0.2 2,-0.3 -5,-0.2 -1,-0.2 0.903 125.5 11.6 -57.4 -43.6 -12.6 16.7 4.3 81 82 A R - 0 0 163 -3,-0.2 27,-0.2 -6,-0.1 -1,-0.1 -0.943 61.8-170.3-135.0 152.6 -14.0 13.9 6.5 82 83 A F B -J 107 0C 6 25,-1.6 25,-1.6 -2,-0.3 3,-0.1 -0.971 33.7 -91.3-140.9 157.2 -17.0 11.6 6.7 83 84 A P - 0 0 69 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.180 43.5 -94.0 -66.6 157.3 -18.3 9.1 9.3 84 85 A D - 0 0 28 1,-0.2 3,-0.1 -53,-0.0 41,-0.0 -0.597 36.9-157.2 -63.7 117.1 -17.6 5.5 9.5 85 86 A E - 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